Information card for entry 7229301

Structure parameters

• Common name: HHU-3
• Chemical name: HHU-3
• Formula: C66 H33 Cu6 N3 O30
• Calculated formula: C66 H33 Cu6 N3 O30
• Title of publication: Isostructural functionalization by ‒OH and ‒NH2: different contributions to CO2 adsorption
• Authors of publication: Lu, Zhiyong; Xing, Yue; Du, Liting; He, Haiyan; Zhang, Jianfeng; Hang, Cheng
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 75
• Pages of publication: 47219
• a: 24.6 ± 0.002 Å
• b: 33.412 ± 0.003 Å
• c: 18.478 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15188 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No